2BRT

ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-01
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	56.807, 62.309, 102.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.220 - 2.200
R-factor	0.211
Rwork	0.208
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gp4
RMSD bond length	0.025
RMSD bond angle	1.887
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.310
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.610
Number of reflections	18607
<I/σ(I)>	15.8	3.1
Completeness [%]	98.0	99.5
Redundancy	5.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		18% (W/V) PEG 2000 MONOMETHYLETHER, 50MM MES, 200MM AMMONIUM ACETATE, 2MM FESO4, 10MM POTASSIUM ALPHA-KETOGLUTARATE, 10MM SODIUM ASCORBATE, 2.5MM RACEMIC NARINGENIN IN 10% (V/V) MEOH, pH 6.50